SMILES:
CC/C=C\CC1C(=O)CCC1CC=OMolecular Processing
Molecular formula
C12H18O2
Molecular weight
194.27
Exact mass
194.1307
XLogP
2.53
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
55.95
Supplementary Information
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